(5-bromonaphthalen-1-yl)methanimine;3-cyano-4-hydroxybenzamide

C19H14BrN3O2 — CID 142003414

IUPAC(5-bromonaphthalen-1-yl)methanimine;3-cyano-4-hydroxybenzamide
SMILESN#Cc1cc(C(N)=O)ccc1O.[H]/N=C/c1cccc2c(Br)cccc12
InChIInChI=1S/C11H8BrN.C8H6N2O2/c12-11-6-2-4-9-8(7-13)3-1-5-10(9)11;9-4-6-3-5(8(10)12)1-2-7(6)11/h1-7,13H;1-3,11H,(H2,10,12)/b13-7+;
InChIKeyTZECJZHOZDPNFN-FTPOTTDRSA-N
MW396.24 g/mol
LogP3.96
Rot. Bonds2

About (5-bromonaphthalen-1-yl)methanimine;3-cyano-4-hydroxybenzamide

(5-bromonaphthalen-1-yl)methanimine;3-cyano-4-hydroxybenzamide (PubChem CID 142003414) has the molecular formula C19H14BrN3O2 and a molecular weight of 396.24 g/mol. Its IUPAC name is (5-bromonaphthalen-1-yl)methanimine;3-cyano-4-hydroxybenzamide.

Molecular Properties

Compound Name(5-bromonaphthalen-1-yl)methanimine;3-cyano-4-hydroxybenzamide
PubChem CID142003414
Molecular FormulaC19H14BrN3O2
Molecular Weight396.24 g/mol
Exact Mass395.03
IUPAC Name(5-bromonaphthalen-1-yl)methanimine;3-cyano-4-hydroxybenzamide
SMILESN#Cc1cc(C(N)=O)ccc1O.[H]/N=C/c1cccc2c(Br)cccc12
InChIInChI=1S/C11H8BrN.C8H6N2O2/c12-11-6-2-4-9-8(7-13)3-1-5-10(9)11;9-4-6-3-5(8(10)12)1-2-7(6)11/h1-7,13H;1-3,11H,(H2,10,12)/b13-7+;
InChIKeyTZECJZHOZDPNFN-FTPOTTDRSA-N
XLogP3.96
TPSA110.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.24
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-bromonaphthalen-1-yl)methanimine;3-cyano-4-hydroxybenzamide?
The IUPAC name of (5-bromonaphthalen-1-yl)methanimine;3-cyano-4-hydroxybenzamide (CID 142003414) is (5-bromonaphthalen-1-yl)methanimine;3-cyano-4-hydroxybenzamide.
What is the SMILES notation for (5-bromonaphthalen-1-yl)methanimine;3-cyano-4-hydroxybenzamide?
The canonical SMILES for (5-bromonaphthalen-1-yl)methanimine;3-cyano-4-hydroxybenzamide is N#Cc1cc(C(N)=O)ccc1O.[H]/N=C/c1cccc2c(Br)cccc12.
What is the InChIKey of (5-bromonaphthalen-1-yl)methanimine;3-cyano-4-hydroxybenzamide?
The InChIKey is TZECJZHOZDPNFN-FTPOTTDRSA-N. The full InChI is InChI=1S/C11H8BrN.C8H6N2O2/c12-11-6-2-4-9-8(7-13)3-1-5-10(9)11;9-4-6-3-5(8(10)12)1-2-7(6)11/h1-7,13H;1-3,11H,(H2,10,12)/b13-7+;.
What are the key properties of (5-bromonaphthalen-1-yl)methanimine;3-cyano-4-hydroxybenzamide?
(5-bromonaphthalen-1-yl)methanimine;3-cyano-4-hydroxybenzamide has a molecular weight of 396.24 g/mol, XLogP of 3.96, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromonaphthalen-1-yl)methanimine;3-cyano-4-hydroxybenzamide is sourced from PubChem (CID 142003414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).